General Information of the Compound
| Compound ID |
CP0574311
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| Compound Name |
US9018214, 202
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| Structure |
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| Formula |
C28H36F3N5O
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| Molecular Weight |
515.624
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| Canonical SMILES |
C[C@@H]1CN(CC(=O)N2CC(C)(C)c3cnc(Cc4ccc(F)cc4F)cc23)[C@@H](CN2CC[C@H](F)C2)CN1
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| InChI |
InChI=1S/C28H36F3N5O/c1-18-13-35(23(11-32-18)15-34-7-6-21(30)14-34)16-27(37)36-17-28(2,3)24-12-33-22(10-26(24)36)8-19-4-5-20(29)9-25(19)31/h4-5,9-10,12,18,21,23,32H,6-8,11,13-17H2,1-3H3/t18-,21+,23-/m1/s1
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| InChIKey |
ROKBQGWENQLZGS-RZFNWQHOSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound